Extended Hellmann-Feynman theorem for non-stationary states and its application in quantum-classical molecular dynamics simulations
- 4 March 1994
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 219 (3-4) , 259-266
- https://doi.org/10.1016/0009-2614(94)87055-1
Abstract
No abstract availableKeywords
This publication has 30 references indexed in Scilit:
- Simulation of Si clusters via Langevin molecular dynamics with quantum forcesPhysical Review Letters, 1992
- Analytic derivative theory based on the Hellmann–Feynman theoremCanadian Journal of Chemistry, 1992
- Extensions of the Feynman–Hellman theorem and applicationsAmerican Journal of Physics, 1989
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985
- General Perturbation and Variational Methods for Responses to Time-Dependent Interactions in Quantum MechanicsPhysical Review B, 1968
- Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. IThe Journal of Chemical Physics, 1968
- Time-Dependent Hellmann-Feynman TheoremsThe Journal of Chemical Physics, 1965
- Dynamical Jahn-Teller TheoremThe Journal of Chemical Physics, 1960
- Dynamical Feynman's TheoremPhysical Review Letters, 1959
- Forces in MoleculesPhysical Review B, 1939